Building data-driven small molecule property prediction models with AMPL

About this Class

Registration:  https://btep.ccr.cancer.gov/classes/ai_one/ Meeting Link: https://cbiit.webex.com/cbiit/j.php?MTID=m61e3ea39fde3a9a94a96efeaa519a656 Description: This talk will introduce basic concepts in building small molecule property prediction using machine learning models trained on data collected from experimental assays.  Practical challenges will be considered, starting with limitations in data collection and curation through to model selection for property prediction applications.  The ATOM (Accelerating Therapeutics for Opportunities in Medicine) Modeling Pipeline (AMPL) will be used to provide concrete examples for building models and data visualization. Presenter: Jonathan Allen PhD, Computational Scientist, Lawrence Livermore National Laboratory